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	hartrees
Energy at 0K	-40.353088
Energy at 298.15K
HF Energy	-40.195025
Nuclear repulsion energy	13.423401

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.882	0.623
H3	0.000	-0.882	0.623
H4	-0.882	0.000	-0.624
H5	0.882	0.000	-0.624

	C1	H2	H3	H4	H5
C1		1.0798	1.0798	1.0800	1.0800
H2	1.0798		1.7634	1.7634	1.7634
H3	1.0798	1.7634		1.7634	1.7634
H4	1.0800	1.7634	1.7634		1.7635
H5	1.0800	1.7634	1.7634	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.476	H2	C1	D4	109.472
H2	C1	D5	109.472	H3	C1	D4	109.472
H3	C1	D5	109.472	D4	C1	D5	109.465

All results from a given calculation for CH₂D₂ (methane-d2)

using model chemistry: MP3=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2D2 (methane-d2)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂D₂ (methane-d2)